SCHEMBL2578768

SCHEMBL2578768

Cc1cccc2c(CCNC(=O)c3noc4c3CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC4)c[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.42
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
GOT1 P17174 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2579157 0.77 SMN1; SMN2 (0.42) TRPV1MAPTSMN1; SMN2EGLN1KMT2A
SCHEMBL2586748 0.77 GAA (0.41) MAPTSMN1; SMN2EGLN1KMT2ALMNA
SCHEMBL4260241 0.75 SMN1; SMN2 (0.46) SMN1; SMN2EGLN1KMT2A
SCHEMBL2579176 0.74 SMN1; SMN2 (0.41) MAPTSMN1; SMN2EGLN1KMT2APOLB
SCHEMBL2587146 0.73 SMN1; SMN2 (0.43) SMN1; SMN2EGLN1KMT2ALMNAALDH1A1
SCHEMBL2588885 0.73 PKM (0.55) MAPTSMN1; SMN2POLBLMNAALDH1A1
SCHEMBL2584665 0.71 NPC1 (0.48) MAPTSMN1; SMN2KMT2ANPC1GAA
SCHEMBL2583662 0.71 BCHE (0.47)
SCHEMBL2582179 0.70 RAB9A (0.47) MAPTSMN1; SMN2KMT2APOLBALDH1A1
SCHEMBL2587147 0.69 CRHBP (0.42) SMN1; SMN2KMT2ATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed